Monomers

Methyl acrylate

Identifiers

IUPAC name
methyl prop-2-enoate
InchI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
InchI Key
BAPJBEWLBFYGME-UHFFFAOYSA-N
SMILES
COC(=O)C=C
Canonical SMILES
COC(=O)C=C
Isomeric SMILES
COC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
26.3
MolLogP
0.3454
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.0658    0.2331    0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6844    0.4248   -0.0768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1162   -0.6719   -0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4559   -1.7910   -0.3681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5522   -0.5232   -0.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0922    0.6536   -0.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3762   -0.8241    0.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3896    0.6889    1.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5910    0.8296   -0.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1763   -1.3776   -0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1434    0.8385   -0.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4826    1.5194   -0.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers